Wei Xiao-Ping, Liu Xin, Zhang Jiao-Yang, Zhang Ya-Ling, Tao Xiaoma
The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China.
Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, P.R. China.
iScience. 2024 Oct 30;27(12):111257. doi: 10.1016/j.isci.2024.111257. eCollection 2024 Dec 20.
Half-metallic materials are widely used as spintronic devices such as electrodes, magnetic tunneling junction, and giant magnetoresistance. In this work, we have systematically investigated the structural stability, Gilbert damping, electronic structure, and magnetism together with exchange interactions and Curie temperatures for MnTaAl and MnWAl alloys. Initially, we estimate their structural stability and offer possible phase synthesis. Subsequently, the Gilbert damping parameters calculated by the linear response theory are used to assess their response speed as spintronic materials. Furthermore, the MnTaAl and MnWAl are predicted to be half-metallic and nearly half-metallic ferrimagnets and their total magnetic moments obey the = -18 rule. Accordingly, their Curie temperatures for MnTaAl and MnWAl are also evaluated by the mean-field approximation. Finally, their thermodynamic parameters within 0∼600 K and thermoelectric properties within 200900 K are discussed. Overall, our research for MnTaAl and MnWAl alloys might provide some valuable clues for their application in spintronic devices.
半金属材料被广泛用作自旋电子器件，如电极、磁隧道结和巨磁电阻。在这项工作中，我们系统地研究了MnTaAl和MnWAl合金的结构稳定性、吉尔伯特阻尼、电子结构、磁性以及交换相互作用和居里温度。首先，我们估计它们的结构稳定性并提供可能的相合成。随后，利用线性响应理论计算的吉尔伯特阻尼参数来评估它们作为自旋电子材料的响应速度。此外，预测MnTaAl和MnWAl为半金属和近半金属亚铁磁体，它们的总磁矩符合 = -18规则。因此，还通过平均场近似评估了MnTaAl和MnWAl的居里温度。最后，讨论了它们在0∼600 K范围内的热力学参数以及在200∼900 K范围内的热电性能。总体而言，我们对MnTaAl和MnWAl合金的研究可能为它们在自旋电子器件中的应用提供一些有价值的线索。
